2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one

C15H20BrNO — CID 62615283

IUPAC2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
SMILESCN(Cc1cccc(Br)c1)CC1CCCCC1=O
InChIInChI=1S/C15H20BrNO/c1-17(10-12-5-4-7-14(16)9-12)11-13-6-2-3-8-15(13)18/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3
InChIKeyOPCYOZXQVMYHSG-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.64
Rot. Bonds4

About 2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one

2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one (PubChem CID 62615283) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
PubChem CID62615283
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
SMILESCN(Cc1cccc(Br)c1)CC1CCCCC1=O
InChIInChI=1S/C15H20BrNO/c1-17(10-12-5-4-7-14(16)9-12)11-13-6-2-3-8-15(13)18/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3
InChIKeyOPCYOZXQVMYHSG-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614928
3-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057852
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
CID 55094732
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615994
2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one
CID 62035173
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62614573
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
2-[[(2-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 62612570
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine
CID 66471626
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-methylcyclohexan-1-one
CID 62612853

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one (CID 62615283) is 2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one is CN(Cc1cccc(Br)c1)CC1CCCCC1=O.
What is the InChIKey of 2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one?
The InChIKey is OPCYOZXQVMYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-17(10-12-5-4-7-14(16)9-12)11-13-6-2-3-8-15(13)18/h4-5,7,9,13H,2-3,6,8,10-11H2,1H3.
What are the key properties of 2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one?
2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one has a molecular weight of 310.23 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62615283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).